First-principles study of physisorption of nucleic acid bases on small-diameter carbon nanotubes.

@article{Gowtham2008FirstprinciplesSO,
  title={First-principles study of physisorption of nucleic acid bases on small-diameter carbon nanotubes.},
  author={Sriharsha Gowtham and Ralph Hendrik Scheicher and Ravindra Pandey and Shashi P. Karna and Rajeev Ahuja},
  journal={Nanotechnology},
  year={2008},
  volume={19 12},
  pages={125701}
}
We report the results of our first-principles study based on density functional theory on the interaction of the nucleic acid base molecules adenine (A), cytosine (C), guanine (G), thymine (T), and uracil (U), with a single-walled carbon nanotube (CNT). Specifically, the focus is on the physisorption of base molecules on the outer wall of a (5, 0) metallic CNT possessing one of the smallest diameters possible. Compared to the case for CNTs with large diameters, the physisorption energy is found… CONTINUE READING
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